N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine

C18H26N4O — CID 139014423

IUPACN,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine
SMILESCc1nnc(-c2cccc(CN3CCC(CN(C)C)CC3)c2)o1
InChIInChI=1S/C18H26N4O/c1-14-19-20-18(23-14)17-6-4-5-16(11-17)13-22-9-7-15(8-10-22)12-21(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3
InChIKeyBTRCSMXOVALSOI-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.82
Rot. Bonds5

About N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine

N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine (PubChem CID 139014423) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine
PubChem CID139014423
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine
SMILESCc1nnc(-c2cccc(CN3CCC(CN(C)C)CC3)c2)o1
InChIInChI=1S/C18H26N4O/c1-14-19-20-18(23-14)17-6-4-5-16(11-17)13-22-9-7-15(8-10-22)12-21(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3
InChIKeyBTRCSMXOVALSOI-UHFFFAOYSA-N
XLogP2.82
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine (CID 139014423) is N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine is Cc1nnc(-c2cccc(CN3CCC(CN(C)C)CC3)c2)o1.
What is the InChIKey of N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine?
The InChIKey is BTRCSMXOVALSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-19-20-18(23-14)17-6-4-5-16(11-17)13-22-9-7-15(8-10-22)12-21(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine?
N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine has a molecular weight of 314.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 139014423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).